CID 36060

17349-94-9

Structural Information

Molecular Formula

C₁₅H₁₇NO

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OCCN

InChI

InChI=1S/C15H17NO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2

InChIKey

NFJFUDGBWGXTHS-UHFFFAOYSA-N

Compound name

2-benzhydryloxyethanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 72
Patents: 227.13101 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	228.13829	152.5
[M+Na]+	250.12023	157.5
[M-H]-	226.12373	158.0
[M+NH4]+	245.16483	169.4
[M+K]+	266.09417	153.9
[M+H-H2O]+	210.12827	144.6
[M+HCOO]-	272.12921	176.2
[M+CH3COO]-	286.14486	192.1
[M+Na-2H]-	248.10568	158.1
[M]+	227.13046	150.9
[M]-	227.13156	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe